Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

1997

Journal or Book Title

Inorganic Chemistry

Volume

36

Issue

12

First Page

2539

Last Page

2543

DOI

10.1021/ic961347z

Abstract

A new barium copper phosphide compound, BaCu10P4, was synthesized by reacting stoichiometric amounts of the elements at 1200 °C for 24 h. BaCu10P4 crystallizes in the monoclinic space group C2/m, with unit cell dimensions a = 23.288(4) b = 3.9070(10), and c = 9.534(2) Å and β = 92.26(2)° (Z = 4). The structure can be described as consisting of chains of edge-shared Cu4 tetrahedral prisms that are knitted together by P atoms. The structure is related to BaCu8P4, which can be described in a similar fashion. Temperature-dependent resistivity measurements indicate that BaCu10P4 is a metal. Extended Hückel band calculations are consistent with metallic character for BaCu10P4 through Cu−Cu interactions. Orbitals at the Fermi level show Cu−Cu bonding overlap. On the other hand, BaCu8P4 reveals extremely weak Cu−Cu interactions, but rather optimizes Cu−P bonding.

Comments

Reprinted (adapted) with permission from Inorg. Chem., 1997, 36 (12), pp 2539–2543. Copyright 1997 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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